IUPAC Name :5-hydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexa-3,5-diene-1,2-dione
InChI :InChI=1/C21H20O11/c22-8-14-17(28)18(29)19(30)21(31-14)32-20-15(12(25)7-13(26)16(20)27)11(24)6-3-9-1-4-10(23)5-2-9/h1-7,14,17-19,21-23,25,28-30H,8H2/b6-3+/t14-,17-,18+,19-,21+/m1/s1
Std.InChI: InChI=1S/C21H20O11/c22-8-14-17(28)18(29)19(30)21(31-14)32-20-15(12(25)7-13(26)16(20)27)11(24)6-3-9-1-4-10(23)5-2-9/h1-7,14,17-19,21-23,25,28-30H,8H2/b6-3+/t14-,17-,18+,19-,21+/m1/s1
InChIKey :YQNGUUQYDSHYMO-MVAXXSNXBM
Std.InChIKey: YQNGUUQYDSHYMO-MVAXXSNXSA-N
SMILES :C1=CC(=CC=C1/C=C/C(=O)C2=C(C(=O)C(=O)C=C2O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
Molar Refractivity :104.09 ± 0.4 cm3 (est)
Parachor :843.6 ± 6.0 cm3 (est)
Index of Refraction :1.708 ± 0.03
(est)
Surface Tension :99.9 ± 5.0 dyne/cm (est)
Density :1.68 ± 0.1 g/cm3 (est)
Polarizability :41.26 ± 0.5 10-24cm3 (est)